Acetonitrile

Acetonitrile

SCHEMBL783513

CC#N.N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
C1S P09871 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 5/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HBB P68871 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16954 0.84 F2 (0.58) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL27411702 0.84 F2 (0.58) PRSS1PRSS2PRSS3C1SRECQL
Ammonia Solution, Strong SCHEMBL28070268 0.81 F2 (0.55) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL10607595 0.81 F2 (0.55) PRSS1PRSS2PRSS3C1SRECQL
Hydrochloric Acid SCHEMBL30040932 0.81 BLM (0.60) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL28001024 0.81 F2 (0.55) PRSS1PRSS2PRSS3C1SRECQL
Hydrochloric Acid SCHEMBL18795794 0.81 BLM (0.60) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL4578344 0.81 F2 (0.55) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL10606109 0.79 TSHR (0.54) PRSS1PRSS2PRSS3C1SRECQL
SCHEMBL27279692 0.79 F2 (0.48) PRSS1PRSS2PRSS3C1SRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57130972-A None JP disclosed
EP-4665717-A2 USES OF CERTAIN 1,4-OXAZEPANE-2-CARBOXAMIDES AS DPP1 INHIBITORS Insmed Incorporated (US) 2025-12-24 EP disclosed
US-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-08-07 US disclosed
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2025-07-22 US disclosed
EP-4538271-A1 POLYMORPH OF BENZO[C]CHROMAN COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Reistone Biopharma Company Limited (CN) 2025-04-16 EP disclosed
EP-4538277-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF BENZO[C]CHROMAN COMPOUND AND POLYMORPHIC FORM AND USE OF PHARMACEUTICALLY ACCEPTABLE SALT Reistone Biopharma Company Limited (CN) 2025-04-16 EP disclosed
EP-4497473-A2 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2025-01-29 EP disclosed
EP-4129989-B1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE LTD (SG) 2024-10-02 EP disclosed
WO-2024173556-A2 USES OF CERTAIN 1,4-OXAZEPANE-2-CARBOXAMIDES AS DPP1 INHIBITORS INSMED INCORPORATED (US) 2024-08-22 WO disclosed
US-20240083888-A1 SMALL MOLECULE INHIBITOR FOR CATHEPSIN C AND MEDICINAL USE THEREOF REISTONE BIOPHARMA COMPANY LIMITED (CN) 2024-03-14 US disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
WO-2000051976-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2000-09-08 WO disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 WO disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 US disclosed
EP-0037271-B1 INDOLE DERIVATIVES AND PROCESS FOR PREPARING THE SAME TORAY INDUSTRIES, INC. (JP) 1984-01-18 EP disclosed
US-4399289-A STABLE TRYPTOPHANE INTERMEDIATES TORAY INDUSTRIES, INC. (JP) 1983-08-16 US disclosed
JP-S57130972-A PREPARATION OF INDOLE DERIVATIVE TORAY IND INC 1982-08-13 JP disclosed
EP-0037271-A1 Indole derivatives and process for preparing the same TORAY INDUSTRIES, INC. (JP) 1981-10-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 PRSS1 30/4885PRSS2 97/4885PRSS3 42/4885
US-20240083888-A1 SMALL MOLECULE INHIBITOR FOR CATHEPSIN C AND MEDICINAL USE THEREOF CTSF, CTSV, CTSB PRSS1 160/4885PRSS2 217/4885PRSS3 148/4885
US-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP9, DPP4, DPP3 PRSS1 47/4885PRSS2 191/4885PRSS3 173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.